Registration Dossier
Registration Dossier
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EC number: 916-226-6 | CAS number: -
Dissociation constant
Administrative data
Link to relevant study record(s)
Description of key information
As the substance is a multi constituent substance, dissociation constants were calculated for components containing ionizable groups. Therefore, the following pKa constants were determined:
quarternary propoxylated fatty amine: deprotonation of hydroxy-groups: 13.92, 13.25
propoxylated fatty amine: deprotonation of hydroxy-groups: 15.14, 14.54,
protonation of tertiary amine: 8.91
propane-1,2-diol: deprotonation of hydroxy-groups: 15.62, 14.49
Key value for chemical safety assessment
Additional information
Based on the calculated pKa values, only propane-1,2 -diol will occur in the protonated form under environmental realistic conditions, the quarternary propoxylated fatty amine as well as the propoxylated fatty amine will be present in its neutral form. For a-chlorotoluene no pKa needs to be determined as the substance does not contain functional groups being capable to dissociate.
For complex mixtures containing ionisable components the assessment of pKa values is clearly complicated. According to the Guidance Document R.7a (ECHA, 2008), an estimation of the individual components’ pKa values, should be considered.
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